BindingDB PrimarySearch

null

SMILES: COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O

InChI Key: InChIKey=MRBBFOWSPXHYQT-FCXRPNKRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50163745
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113209 BindingDB Entry DOI: 10.7270/Q2JW8JX9
TBA					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4				Bioorg Med Chem Lett 15: 1793-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.039 BindingDB Entry DOI: 10.7270/Q20V8DJD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from fibrillar amyloid beta 42 (unknown origin) after 3 hrs				Bioorg Med Chem Lett 28: 2285-2288 (2018) Article DOI: 10.1016/j.bmcl.2018.05.032 BindingDB Entry DOI: 10.7270/Q28K7CM7
Advinus Therapeutics Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113209 BindingDB Entry DOI: 10.7270/Q2JW8JX9
TBA					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113209 BindingDB Entry DOI: 10.7270/Q2JW8JX9
TBA					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113209 BindingDB Entry DOI: 10.7270/Q2JW8JX9
TBA					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50163745 (4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 19: 6196-202 (2011) Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST
University of Houston Curated by ChEMBL					More data for this Ligand-Target Pair